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Density functional theory and empirical derived force fields for the delocalized polaron form of polyaniline. Application to properties determination of an isolated oligomer using molecular dynamics simulations.
Cherrak Z, Lagant P, Benharrats N, Semmoud A, Hamdache F, Vergoten G. Cherrak Z, et al. Among authors: lagant p. Spectrochim Acta A Mol Biomol Spectrosc. 2005 May;61(7):1419-29. doi: 10.1016/j.saa.2004.10.046. Spectrochim Acta A Mol Biomol Spectrosc. 2005. PMID: 15820875
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